Information card for entry 7248226

Structure parameters

• Chemical name: [tetrakis(μ~2~-4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoate-O,O')-bis(water)-di-copper(ii)]4, dimethylformamide solvate
• Formula: C155.9 H101.1 Cu8 N1.3 O41.3 S32
• Calculated formula: C155.48 H99.5 Cu8 N1.16 O41.16 S32
• Title of publication: Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene
• Authors of publication: Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 2072 - 2077
• a: 19.081 ± 0.003 Å
• b: 31.525 ± 0.006 Å
• c: 20.06 ± 0.002 Å
• α: 90°
• β: 104.324 ± 0.015°
• γ: 90°
• Cell volume: 11692 ± 3 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1717
• Residual factor for significantly intense reflections: 0.146
• Weighted residual factors for significantly intense reflections: 0.3817
• Weighted residual factors for all reflections included in the refinement: 0.4082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.43
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No